SCHEMBL11468678

SCHEMBL11468678

CCC1(COC(=O)c2ccc(C(C)(C)C)cc2)COC2(CC(C)(C)N(C)C(C)(C)C2)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
F2 P00734 1/20 0.37
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
BCHE P06276 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11450839 0.87 LMNA (0.40) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL14839262 0.81 TSHR (0.45) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL11459385 0.78 TSHR (0.33) MAPTALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL11468691 0.76 POLB (0.37) MEN1KMT2AMAPTALDH1A1F2
SCHEMBL11449565 0.75 LMNA (0.38) KMT2AMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL11468754 0.75 HRH3 (0.43) MAPTALDH1A1HPGDPOLBTSHR
SCHEMBL11202373 0.74 TSHR (0.32) TSHR
SCHEMBL14839400 0.74 TSHR (0.45) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL11458868 0.73 GAA (0.42) MEN1KMT2AALDH1A1MAPK1NPSR1
SCHEMBL13242262 0.73 PRKCA (0.40) ALDH1A1ALOX15TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4212974-A POLYMER STABILIZERS SANKYO COMPANY LIMITED (JP) 1980-07-15 US disclosed